SCHEMBL142159

SCHEMBL142159

C#CC[C@@]1(C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
BTK Q06187 1/20 0.37
KCNA3 P22001 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
DRD2 P14416 3/20 0.31
EPHX1 P07099 1/20 0.31
HSD11B1 P28845 2/20 0.31
CYP2C9 P11712 1/20 0.31
CTSS P25774 1/20 0.31
DRD3 P35462 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL141209 1.00 CTSK (0.38) CTSKBTKKCNA3KMT2AL3MBTL1
SCHEMBL143099 0.82 KMT2A (0.35) CTSKKMT2AMEN1ALDH1A1TSHR
SCHEMBL143514 0.73 CTSK (0.41) CTSKBTKKCNA3KMT2AL3MBTL1
SCHEMBL142161 0.73 CTSK (0.41) CTSKBTKKCNA3KMT2AL3MBTL1
SCHEMBL147425 0.73 CTSK (0.41) CTSKBTKKCNA3KMT2AL3MBTL1
SCHEMBL139448 0.73 CTSK (0.41) CTSKBTKKCNA3KMT2AL3MBTL1
SCHEMBL142914 0.69 DRD2 (0.36) KMT2AMEN1ALDH1A1TSHRCKS1B
SCHEMBL145227 0.69 DRD2 (0.39) CTSKKMT2AMEN1ALDH1A1TSHR
SCHEMBL142209 0.69 DRD2 (0.39) CTSKKMT2AMEN1ALDH1A1TSHR
SCHEMBL143469 0.67 DRD2 (0.36) KMT2AMEN1ALDH1A1TSHRCKS1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CTSK 1607/4885BTK 2559/4885KCNA3 1764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.